sodium;ethenesulfonate;N-ethenylacetamide

C6H10NNaO4S — CID 23715190

IUPACsodium;ethenesulfonate;N-ethenylacetamide
SMILESC=CNC(C)=O.C=CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H7NO.C2H4O3S.Na/c1-3-5-4(2)6;1-2-6(3,4)5;/h3H,1H2,2H3,(H,5,6);2H,1H2,(H,3,4,5);/q;;+1/p-1
InChIKeyZQDSKSBJTBXLHU-UHFFFAOYSA-M
MW215.21 g/mol
LogP-3.05
Rot. Bonds2

About sodium;ethenesulfonate;N-ethenylacetamide

sodium;ethenesulfonate;N-ethenylacetamide (PubChem CID 23715190) has the molecular formula C6H10NNaO4S and a molecular weight of 215.21 g/mol. Its IUPAC name is sodium;ethenesulfonate;N-ethenylacetamide.

Molecular Properties

Compound Namesodium;ethenesulfonate;N-ethenylacetamide
PubChem CID23715190
Molecular FormulaC6H10NNaO4S
Molecular Weight215.21 g/mol
Exact Mass215.02
IUPAC Namesodium;ethenesulfonate;N-ethenylacetamide
SMILESC=CNC(C)=O.C=CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C4H7NO.C2H4O3S.Na/c1-3-5-4(2)6;1-2-6(3,4)5;/h3H,1H2,2H3,(H,5,6);2H,1H2,(H,3,4,5);/q;;+1/p-1
InChIKeyZQDSKSBJTBXLHU-UHFFFAOYSA-M
XLogP-3.05
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-3.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

but-3-en-2-one;N-ethenylacetamide
CID 139410839
potassium ethenesulfonate
CID 23693598
ethenesulfonate;rubidium(1+)
CID 140700043
ethenesulfonate;holmium(3+)
CID 163217157
N-ethenylacetamide;methanethiol;N-(2-methylsulfanylethyl)acetamide
CID 158320858
disodium;prop-1-ene;sulfate
CID 172734907
but-3-enamide;ethenesulfonate
CID 86736729
N-[(E)-3,3-dimethylbut-1-enyl]acetamide
CID 55299513
disodium;methyl acetate;sulfate
CID 158946588
but-3-en-2-one;dimethyl-methylidene-oxo-λ6-sulfane
CID 159903560
sodium;ethenesulfonate;2-hydroxyethyl prop-2-enoate
CID 159658486
sodium;ethenesulfonic acid;hydride;hydrate
CID 174630321

Frequently Asked Questions

What is the IUPAC name of sodium;ethenesulfonate;N-ethenylacetamide?
The IUPAC name of sodium;ethenesulfonate;N-ethenylacetamide (CID 23715190) is sodium;ethenesulfonate;N-ethenylacetamide.
What is the SMILES notation for sodium;ethenesulfonate;N-ethenylacetamide?
The canonical SMILES for sodium;ethenesulfonate;N-ethenylacetamide is C=CNC(C)=O.C=CS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium;ethenesulfonate;N-ethenylacetamide?
The InChIKey is ZQDSKSBJTBXLHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO.C2H4O3S.Na/c1-3-5-4(2)6;1-2-6(3,4)5;/h3H,1H2,2H3,(H,5,6);2H,1H2,(H,3,4,5);/q;;+1/p-1.
What are the key properties of sodium;ethenesulfonate;N-ethenylacetamide?
sodium;ethenesulfonate;N-ethenylacetamide has a molecular weight of 215.21 g/mol, XLogP of -3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethenesulfonate;N-ethenylacetamide is sourced from PubChem (CID 23715190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).